8W79

Fe-O nanocluster of form-III in the 4-fold channel of Ureaplasma diversum ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.55
Spacegroup name	F 4 3 2
Unit cell lengths	180.406, 180.406, 180.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.825 - 2.697
R-factor	0.199
Rwork	0.193
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.948
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.697	7.320	2.700
Rmerge	0.301	0.090	2.588
Rmeas	0.303	0.091	2.606
Rpim	0.036	0.012	0.300
Number of reflections	13119	447	360
<I/σ(I)>	2.2
Completeness [%]	100.0	100	100
Redundancy	72	56.3	75
CC(1/2)	0.990	0.996	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	Bicine, MgCl2